José Gabriel Aulisio de Oliveira

Has experience in computational modeling applied to Electrochemistry, with emphasis on investigating the electronic structure and reactivity of molecular systems using Density Functional Theory (DFT). Specifically contributed to the study of the #946;-cyclodextrin/ferrocene complex through calculations of ionization potentials, frontier molecular orbitals (HOMOLUMO), Fukui indices, and potential energy surfaces, aiming to elucidate molecular confinement effects and electronic stabilization mechanisms in hostguest systems. (Source: Lattes Curriculum)